diff --git a/output/eighth.txt b/output/eighth.txt new file mode 100644 index 0000000..2914158 --- /dev/null +++ b/output/eighth.txt @@ -0,0 +1,101 @@ + Total Energy, E(EOM-CCSD) = 0.269055137769 + Total Energy, E(EOM-CCSD) = 0.213062657953 + Total Energy, E(EOM-CCSD) = 0.167726949624 + Total Energy, E(EOM-CCSD) = 0.129186648519 + Total Energy, E(EOM-CCSD) = 0.950848649515E-01 + Total Energy, E(EOM-CCSD) = 0.640909017703E-01 + Total Energy, E(EOM-CCSD) = 0.355265925729E-01 + Total Energy, E(EOM-CCSD) = 0.908718354861E-02 + Total Energy, E(EOM-CCSD) = -0.153493131213E-01 + Total Energy, E(EOM-CCSD) = -0.378365440603E-01 + Total Energy, E(EOM-CCSD) = -0.584181838535E-01 + Total Energy, E(EOM-CCSD) = -0.771515453780E-01 + Total Energy, E(EOM-CCSD) = -0.941127233984E-01 + Total Energy, E(EOM-CCSD) = -0.109393386857 + Total Energy, E(EOM-CCSD) = -0.123094709928 + Total Energy, E(EOM-CCSD) = -0.135321279203 + Total Energy, E(EOM-CCSD) = -0.146176406933 + Total Energy, E(EOM-CCSD) = -0.155759431075 + Total Energy, E(EOM-CCSD) = -0.164164962293 + Total Energy, E(EOM-CCSD) = -0.171483579358 + Total Energy, E(EOM-CCSD) = -0.177803248004 + Total Energy, E(EOM-CCSD) = -0.183210654937 + Total Energy, E(EOM-CCSD) = -0.187792120363 + Total Energy, E(EOM-CCSD) = -0.191633605415 + Total Energy, E(EOM-CCSD) = -0.194820045689 + Total Energy, E(EOM-CCSD) = -0.197434131321 + Total Energy, E(EOM-CCSD) = -0.199554842413 + Total Energy, E(EOM-CCSD) = -0.202092415063 + Total Energy, E(EOM-CCSD) = -0.204206367130 + Total Energy, E(EOM-CCSD) = -0.205460771989 + Total Energy, E(EOM-CCSD) = -0.205891029659 + Total Energy, E(EOM-CCSD) = -0.205570995703 + Total Energy, E(EOM-CCSD) = -0.205574082793 + Total Energy, E(EOM-CCSD) = -0.205342774941 + Total Energy, E(EOM-CCSD) = -0.203610325839 + Total Energy, E(EOM-CCSD) = -0.202145620926 + Total Energy, E(EOM-CCSD) = -0.200928087529 + Total Energy, E(EOM-CCSD) = -0.199934374331 + Total Energy, E(EOM-CCSD) = -0.199139732550 + Total Energy, E(EOM-CCSD) = -0.202686994489 + Total Energy, E(EOM-CCSD) = -0.206418618338 + Total Energy, E(EOM-CCSD) = -0.206346691491 + Total Energy, E(EOM-CCSD) = -0.206256702254 + Total Energy, E(EOM-CCSD) = -0.206152003941 + Total Energy, E(EOM-CCSD) = -0.206035428449 + Total Energy, E(EOM-CCSD) = -0.205909711906 + Total Energy, E(EOM-CCSD) = -0.205776921489 + Total Energy, E(EOM-CCSD) = -0.205639083362 + Total Energy, E(EOM-CCSD) = -0.205497959809 + Total Energy, E(EOM-CCSD) = -0.205355101618 + Total Energy, E(EOM-CCSD) = -0.205211872709 + Total Energy, E(EOM-CCSD) = -0.205069444940 + Total Energy, E(EOM-CCSD) = -0.204928807699 + Total Energy, E(EOM-CCSD) = -0.204790789876 + Total Energy, E(EOM-CCSD) = -0.204656060980 + Total Energy, E(EOM-CCSD) = -0.204525148907 + Total Energy, E(EOM-CCSD) = -0.204398447998 + Total Energy, E(EOM-CCSD) = -0.204276208579 + Total Energy, E(EOM-CCSD) = -0.204158642039 + Total Energy, E(EOM-CCSD) = -0.204045907041 + Total Energy, E(EOM-CCSD) = -0.203937911724 + Total Energy, E(EOM-CCSD) = -0.203834668385 + Total Energy, E(EOM-CCSD) = -0.203736100869 + Total Energy, E(EOM-CCSD) = -0.203642068643 + Total Energy, E(EOM-CCSD) = -0.203552448973 + Total Energy, E(EOM-CCSD) = -0.203467075791 + Total Energy, E(EOM-CCSD) = -0.203385775328 + Total Energy, E(EOM-CCSD) = -0.203308371481 + Total Energy, E(EOM-CCSD) = -0.203234654663 + Total Energy, E(EOM-CCSD) = -0.203164469390 + Total Energy, E(EOM-CCSD) = -0.203097627218 + Total Energy, E(EOM-CCSD) = -0.202730700901 + Total Energy, E(EOM-CCSD) = -0.202090406483 + Total Energy, E(EOM-CCSD) = -0.201547224595 + Total Energy, E(EOM-CCSD) = -0.201092444327 + Total Energy, E(EOM-CCSD) = -0.200716809411 + Total Energy, E(EOM-CCSD) = -0.200411080068 + Total Energy, E(EOM-CCSD) = -0.200166255552 + Total Energy, E(EOM-CCSD) = -0.200049272864 + Total Energy, E(EOM-CCSD) = -0.200092641460 + Total Energy, E(EOM-CCSD) = -0.200134049783 + Total Energy, E(EOM-CCSD) = -0.200173722434 + Total Energy, E(EOM-CCSD) = -0.200211621160 + Total Energy, E(EOM-CCSD) = -0.200248026278 + Total Energy, E(EOM-CCSD) = -0.200282836539 + Total Energy, E(EOM-CCSD) = -0.200316200965 + Total Energy, E(EOM-CCSD) = -0.200348188908 + Total Energy, E(EOM-CCSD) = -0.200378866914 + Total Energy, E(EOM-CCSD) = -0.200408308486 + Total Energy, E(EOM-CCSD) = -0.200436589967 + Total Energy, E(EOM-CCSD) = -0.200463921291 + Total Energy, E(EOM-CCSD) = -0.200489865781 + Total Energy, E(EOM-CCSD) = -0.200514906201 + Total Energy, E(EOM-CCSD) = -0.200539034952 + Total Energy, E(EOM-CCSD) = -0.200562222787 + Total Energy, E(EOM-CCSD) = -0.200584543634 + Total Energy, E(EOM-CCSD) = -0.200606052872 + Total Energy, E(EOM-CCSD) = -0.200626754563 + Total Energy, E(EOM-CCSD) = -0.200646692971 + Total Energy, E(EOM-CCSD) = -0.200665927707 + Total Energy, E(EOM-CCSD) = -0.200684446824 diff --git a/output/fifth.txt b/output/fifth.txt index 4c9e363..9797b50 100644 --- a/output/fifth.txt +++ b/output/fifth.txt @@ -1,51 +1,101 @@ --0.745199127033E-01 --0.170952514845 --0.235773659339 --0.260596451832 --0.272552488132 --0.276433293052 --0.275195052710 --0.270777284637 --0.264461466374 --0.257046814763 --0.249017153546 --0.240721387243 --0.232499237047 --0.229261675919 --0.225321297796 --0.219040081878 --0.210297527219 --0.204066411685 --0.208801613347 --0.214436928559 --0.219319747511 --0.223241155414 --0.226164432309 --0.231156884408 --0.234267895476 --0.235623382785 --0.235438934835 --0.233973524132 --0.231524489963 --0.228409362629 --0.224940193199 --0.221398058316 --0.218012182938 --0.214947709898 --0.203220364798 --0.203084649498 --0.208350819748 --0.206984353187 --0.205943972220 --0.205163013768 --0.204580426783 --0.204144974056 --0.203816222753 --0.203563662334 --0.203365047938 --0.203204642563 --0.203071365001 --0.202957726845 --0.202858618882 --0.202770489119 --0.202690993387 + Total Energy, E(EOM-CCSD) = -0.626275924030E-01 + Total Energy, E(EOM-CCSD) = -0.117371509610 + Total Energy, E(EOM-CCSD) = -0.162731921055 + Total Energy, E(EOM-CCSD) = -0.201580073747 + Total Energy, E(EOM-CCSD) = -0.232307034468 + Total Energy, E(EOM-CCSD) = -0.247672360519 + Total Energy, E(EOM-CCSD) = -0.258795267393 + Total Energy, E(EOM-CCSD) = -0.266599046244 + Total Energy, E(EOM-CCSD) = -0.271781133394 + Total Energy, E(EOM-CCSD) = -0.274878930166 + Total Energy, E(EOM-CCSD) = -0.276314650030 + Total Energy, E(EOM-CCSD) = -0.276426190039 + Total Energy, E(EOM-CCSD) = -0.275488085820 + Total Energy, E(EOM-CCSD) = -0.273725213405 + Total Energy, E(EOM-CCSD) = -0.271321372011 + Total Energy, E(EOM-CCSD) = -0.268424815031 + Total Energy, E(EOM-CCSD) = -0.265152626196 + Total Energy, E(EOM-CCSD) = -0.261595327503 + Total Energy, E(EOM-CCSD) = -0.257822316694 + Total Energy, E(EOM-CCSD) = -0.253887938601 + Total Energy, E(EOM-CCSD) = -0.249837492081 + Total Energy, E(EOM-CCSD) = -0.245712313328 + Total Energy, E(EOM-CCSD) = -0.241553478430 + Total Energy, E(EOM-CCSD) = -0.237403736978 + Total Energy, E(EOM-CCSD) = -0.233307905812 + Total Energy, E(EOM-CCSD) = -0.230533229187 + Total Energy, E(EOM-CCSD) = -0.229530809051 + Total Energy, E(EOM-CCSD) = -0.227958788651 + Total Energy, E(EOM-CCSD) = -0.225818474834 + Total Energy, E(EOM-CCSD) = -0.223097621261 + Total Energy, E(EOM-CCSD) = -0.219777643448 + Total Energy, E(EOM-CCSD) = -0.215841436349 + Total Energy, E(EOM-CCSD) = -0.211282982762 + Total Energy, E(EOM-CCSD) = -0.206118637802 + Total Energy, E(EOM-CCSD) = -0.206162350649 + Total Energy, E(EOM-CCSD) = -0.206327545846 + Total Energy, E(EOM-CCSD) = -0.208229035571 + Total Energy, E(EOM-CCSD) = -0.211107108837 + Total Energy, E(EOM-CCSD) = -0.213899657460 + Total Energy, E(EOM-CCSD) = -0.216500701767 + Total Energy, E(EOM-CCSD) = -0.218873771689 + Total Energy, E(EOM-CCSD) = -0.221006338358 + Total Energy, E(EOM-CCSD) = -0.222893481963 + Total Energy, E(EOM-CCSD) = -0.224531860632 + Total Energy, E(EOM-CCSD) = -0.225917793083 + Total Energy, E(EOM-CCSD) = -0.228371059611 + Total Energy, E(EOM-CCSD) = -0.230742028395 + Total Energy, E(EOM-CCSD) = -0.232624105772 + Total Energy, E(EOM-CCSD) = -0.234038954920 + Total Energy, E(EOM-CCSD) = -0.235009578535 + Total Energy, E(EOM-CCSD) = -0.235561031324 + Total Energy, E(EOM-CCSD) = -0.235720921845 + Total Energy, E(EOM-CCSD) = -0.235519687296 + Total Energy, E(EOM-CCSD) = -0.234990600027 + Total Energy, E(EOM-CCSD) = -0.234169514822 + Total Energy, E(EOM-CCSD) = -0.233094406826 + Total Energy, E(EOM-CCSD) = -0.231804704622 + Total Energy, E(EOM-CCSD) = -0.230340486707 + Total Energy, E(EOM-CCSD) = -0.228741734057 + Total Energy, E(EOM-CCSD) = -0.227047461748 + Total Energy, E(EOM-CCSD) = -0.225294638876 + Total Energy, E(EOM-CCSD) = -0.223517871265 + Total Energy, E(EOM-CCSD) = -0.221748516603 + Total Energy, E(EOM-CCSD) = -0.220014213747 + Total Energy, E(EOM-CCSD) = -0.218338593993 + Total Energy, E(EOM-CCSD) = -0.216740989345 + Total Energy, E(EOM-CCSD) = -0.215236440667 + Total Energy, E(EOM-CCSD) = -0.213835730077 + Total Energy, E(EOM-CCSD) = -0.212545603580 + Total Energy, E(EOM-CCSD) = -0.211369187267 + Total Energy, E(EOM-CCSD) = -0.210306324462 + Total Energy, E(EOM-CCSD) = -0.209354229962 + Total Energy, E(EOM-CCSD) = -0.208507941205 + Total Energy, E(EOM-CCSD) = -0.207760807175 + Total Energy, E(EOM-CCSD) = -0.207105213139 + Total Energy, E(EOM-CCSD) = -0.206532858122 + Total Energy, E(EOM-CCSD) = -0.206035270693 + Total Energy, E(EOM-CCSD) = -0.205604084681 + Total Energy, E(EOM-CCSD) = -0.205231241708 + Total Energy, E(EOM-CCSD) = -0.204909295336 + Total Energy, E(EOM-CCSD) = -0.204631267802 + Total Energy, E(EOM-CCSD) = -0.204391074657 + Total Energy, E(EOM-CCSD) = -0.204183064435 + Total Energy, E(EOM-CCSD) = -0.204002582703 + Total Energy, E(EOM-CCSD) = -0.203845235603 + Total Energy, E(EOM-CCSD) = -0.203707469572 + Total Energy, E(EOM-CCSD) = -0.203586186053 + Total Energy, E(EOM-CCSD) = -0.203478758700 + Total Energy, E(EOM-CCSD) = -0.203382985049 + Total Energy, E(EOM-CCSD) = -0.203297026630 + Total Energy, E(EOM-CCSD) = -0.203219489564 + Total Energy, E(EOM-CCSD) = -0.203148597749 + Total Energy, E(EOM-CCSD) = -0.203083718052 + Total Energy, E(EOM-CCSD) = -0.203023915253 + Total Energy, E(EOM-CCSD) = -0.202968388917 + Total Energy, E(EOM-CCSD) = -0.202916557239 + Total Energy, E(EOM-CCSD) = -0.202867975231 + Total Energy, E(EOM-CCSD) = -0.202822187376 + Total Energy, E(EOM-CCSD) = -0.202778864694 + Total Energy, E(EOM-CCSD) = -0.202737761475 + Total Energy, E(EOM-CCSD) = -0.202698598522 diff --git a/output/first.txt b/output/first.txt index a08bc1a..46c0f40 100644 --- a/output/first.txt +++ b/output/first.txt @@ -1,51 +1,101 @@ --0.526521065505 --0.614275637194 --0.665578400340 --0.696462674332 --0.715293171535 --0.726737942108 --0.733516172900 --0.737235397854 --0.738859825565 --0.738979881293 --0.737970026354 --0.736079652373 --0.733481224723 --0.730297021222 --0.726620694494 --0.722534833066 --0.718121690427 --0.713465287451 --0.708646553969 --0.703735034641 --0.698783595027 --0.693827917669 --0.688891137910 --0.683989403380 --0.679136224786 --0.674344237402 --0.669626426232 --0.664995551196 --0.660463829107 --0.656042816600 --0.651742361062 --0.647571059039 --0.643535828208 --0.639642082794 --0.635893446881 --0.632292175442 --0.628839091053 --0.625533707899 --0.622374249712 --0.619357840025 --0.616481371895 --0.613740228992 --0.611126520940 --0.608634505843 --0.606257904147 --0.603990171751 --0.601824519391 --0.599754387012 --0.597773416795 --0.595875338495 --0.594054499947 + Total Energy, E(EOM-CCSD) = -0.514698611090 + Total Energy, E(EOM-CCSD) = -0.567560048368 + Total Energy, E(EOM-CCSD) = -0.607507290961 + Total Energy, E(EOM-CCSD) = -0.638029740838 + Total Energy, E(EOM-CCSD) = -0.661552613226 + Total Energy, E(EOM-CCSD) = -0.679799668925 + Total Energy, E(EOM-CCSD) = -0.694017448726 + Total Energy, E(EOM-CCSD) = -0.705122414534 + Total Energy, E(EOM-CCSD) = -0.713800547051 + Total Energy, E(EOM-CCSD) = -0.720572804978 + Total Energy, E(EOM-CCSD) = -0.725837623714 + Total Energy, E(EOM-CCSD) = -0.729900538848 + Total Energy, E(EOM-CCSD) = -0.732996356586 + Total Energy, E(EOM-CCSD) = -0.735306148364 + Total Energy, E(EOM-CCSD) = -0.736970103038 + Total Energy, E(EOM-CCSD) = -0.738097238700 + Total Energy, E(EOM-CCSD) = -0.738772778813 + Total Energy, E(EOM-CCSD) = -0.739063818699 + Total Energy, E(EOM-CCSD) = -0.739023707508 + Total Energy, E(EOM-CCSD) = -0.738695407968 + Total Energy, E(EOM-CCSD) = -0.738114013873 + Total Energy, E(EOM-CCSD) = -0.737308479065 + Total Energy, E(EOM-CCSD) = -0.736302934710 + Total Energy, E(EOM-CCSD) = -0.735117525008 + Total Energy, E(EOM-CCSD) = -0.733769154640 + Total Energy, E(EOM-CCSD) = -0.732272166396 + Total Energy, E(EOM-CCSD) = -0.730639002903 + Total Energy, E(EOM-CCSD) = -0.728880833858 + Total Energy, E(EOM-CCSD) = -0.727008098312 + Total Energy, E(EOM-CCSD) = -0.725030943885 + Total Energy, E(EOM-CCSD) = -0.722959520706 + Total Energy, E(EOM-CCSD) = -0.720804142249 + Total Energy, E(EOM-CCSD) = -0.718575309289 + Total Energy, E(EOM-CCSD) = -0.716283602090 + Total Energy, E(EOM-CCSD) = -0.713939478352 + Total Energy, E(EOM-CCSD) = -0.711553005376 + Total Energy, E(EOM-CCSD) = -0.709133582126 + Total Energy, E(EOM-CCSD) = -0.706689688206 + Total Energy, E(EOM-CCSD) = -0.704228719049 + Total Energy, E(EOM-CCSD) = -0.701756915357 + Total Energy, E(EOM-CCSD) = -0.699279402634 + Total Energy, E(EOM-CCSD) = -0.696800304998 + Total Energy, E(EOM-CCSD) = -0.694322944552 + Total Energy, E(EOM-CCSD) = -0.691849932310 + Total Energy, E(EOM-CCSD) = -0.689383380457 + Total Energy, E(EOM-CCSD) = -0.686925431363 + Total Energy, E(EOM-CCSD) = -0.684477603656 + Total Energy, E(EOM-CCSD) = -0.682041579626 + Total Energy, E(EOM-CCSD) = -0.679618958990 + Total Energy, E(EOM-CCSD) = -0.677211332510 + Total Energy, E(EOM-CCSD) = -0.674820308245 + Total Energy, E(EOM-CCSD) = -0.672447497575 + Total Energy, E(EOM-CCSD) = -0.670094507679 + Total Energy, E(EOM-CCSD) = -0.667762940854 + Total Energy, E(EOM-CCSD) = -0.665454365545 + Total Energy, E(EOM-CCSD) = -0.663170315904 + Total Energy, E(EOM-CCSD) = -0.660912254990 + Total Energy, E(EOM-CCSD) = -0.658681557879 + Total Energy, E(EOM-CCSD) = -0.656479595914 + Total Energy, E(EOM-CCSD) = -0.654307635229 + Total Energy, E(EOM-CCSD) = -0.652166711155 + Total Energy, E(EOM-CCSD) = -0.650057912492 + Total Energy, E(EOM-CCSD) = -0.647982181802 + Total Energy, E(EOM-CCSD) = -0.645940326434 + Total Energy, E(EOM-CCSD) = -0.643933105778 + Total Energy, E(EOM-CCSD) = -0.641961148301 + Total Energy, E(EOM-CCSD) = -0.640024987608 + Total Energy, E(EOM-CCSD) = -0.638125067009 + Total Energy, E(EOM-CCSD) = -0.636261700695 + Total Energy, E(EOM-CCSD) = -0.634435171484 + Total Energy, E(EOM-CCSD) = -0.632645631068 + Total Energy, E(EOM-CCSD) = -0.630893154299 + Total Energy, E(EOM-CCSD) = -0.629177725567 + Total Energy, E(EOM-CCSD) = -0.627499269867 + Total Energy, E(EOM-CCSD) = -0.625857646852 + Total Energy, E(EOM-CCSD) = -0.624252555963 + Total Energy, E(EOM-CCSD) = -0.622683714318 + Total Energy, E(EOM-CCSD) = -0.621150742605 + Total Energy, E(EOM-CCSD) = -0.619653140235 + Total Energy, E(EOM-CCSD) = -0.618190484518 + Total Energy, E(EOM-CCSD) = -0.616762651811 + Total Energy, E(EOM-CCSD) = -0.615369256608 + Total Energy, E(EOM-CCSD) = -0.614008430406 + Total Energy, E(EOM-CCSD) = -0.612679757720 + Total Energy, E(EOM-CCSD) = -0.611382315554 + Total Energy, E(EOM-CCSD) = -0.610115457783 + Total Energy, E(EOM-CCSD) = -0.608878418041 + Total Energy, E(EOM-CCSD) = -0.607670382700 + Total Energy, E(EOM-CCSD) = -0.606490565003 + Total Energy, E(EOM-CCSD) = -0.605338142116 + Total Energy, E(EOM-CCSD) = -0.604212586325 + Total Energy, E(EOM-CCSD) = -0.603112105478 + Total Energy, E(EOM-CCSD) = -0.602036695660 + Total Energy, E(EOM-CCSD) = -0.600985416190 + Total Energy, E(EOM-CCSD) = -0.599957318171 + Total Energy, E(EOM-CCSD) = -0.598951656428 + Total Energy, E(EOM-CCSD) = -0.597967665903 + Total Energy, E(EOM-CCSD) = -0.597004547244 + Total Energy, E(EOM-CCSD) = -0.596061551593 + Total Energy, E(EOM-CCSD) = -0.595138044216 + Total Energy, E(EOM-CCSD) = -0.594233255333 diff --git a/output/fourth.txt b/output/fourth.txt index 6003cd1..d707086 100644 --- a/output/fourth.txt +++ b/output/fourth.txt @@ -1,51 +1,101 @@ --0.106286518058 --0.189679970778 --0.235773659347 --0.260596451840 --0.294587787702 --0.373346535243 --0.406786085070 --0.427909012778 --0.444244472463 --0.456657026477 --0.465823452582 --0.472323478924 --0.476669805311 --0.478513087745 --0.474188792179 --0.470693067478 --0.467777317312 --0.465349930881 --0.463481730133 --0.462307920017 --0.461910000140 --0.462257987209 --0.463227344436 --0.464649980978 --0.466359836279 --0.468218142439 --0.470121852148 --0.472000373774 --0.473629667361 --0.475106485532 --0.476575627612 --0.477994889617 --0.479332500615 --0.480566198813 --0.481681865106 --0.482672790266 --0.483538315087 --0.484282589466 --0.484913245988 --0.485440314778 --0.485875111822 --0.486229384147 --0.486514732572 --0.486742008400 --0.486921152169 --0.487061014776 --0.487169101243 --0.487251896737 --0.487314821111 --0.487362145911 --0.487397473601 + Total Energy, E(EOM-CCSD) = -0.948517523338E-01 + Total Energy, E(EOM-CCSD) = -0.145685020446 + Total Energy, E(EOM-CCSD) = -0.183386203401 + Total Energy, E(EOM-CCSD) = -0.211451886977 + Total Energy, E(EOM-CCSD) = -0.232307034478 + Total Energy, E(EOM-CCSD) = -0.247672360519 + Total Energy, E(EOM-CCSD) = -0.258795267398 + Total Energy, E(EOM-CCSD) = -0.266599046251 + Total Energy, E(EOM-CCSD) = -0.285815632774 + Total Energy, E(EOM-CCSD) = -0.327998125222 + Total Energy, E(EOM-CCSD) = -0.366170368748 + Total Energy, E(EOM-CCSD) = -0.391324672008 + Total Energy, E(EOM-CCSD) = -0.404367693462 + Total Energy, E(EOM-CCSD) = -0.415877355307 + Total Energy, E(EOM-CCSD) = -0.426028830602 + Total Energy, E(EOM-CCSD) = -0.434963620477 + Total Energy, E(EOM-CCSD) = -0.442799896427 + Total Energy, E(EOM-CCSD) = -0.449639413655 + Total Energy, E(EOM-CCSD) = -0.455572055664 + Total Energy, E(EOM-CCSD) = -0.460679112669 + Total Energy, E(EOM-CCSD) = -0.465035834515 + Total Energy, E(EOM-CCSD) = -0.468713130049 + Total Energy, E(EOM-CCSD) = -0.471778283803 + Total Energy, E(EOM-CCSD) = -0.474294414815 + Total Energy, E(EOM-CCSD) = -0.476319210760 + Total Energy, E(EOM-CCSD) = -0.477903531031 + Total Energy, E(EOM-CCSD) = -0.479002481342 + Total Energy, E(EOM-CCSD) = -0.476664711685 + Total Energy, E(EOM-CCSD) = -0.474578992512 + Total Energy, E(EOM-CCSD) = -0.472707512707 + Total Energy, E(EOM-CCSD) = -0.471013413000 + Total Energy, E(EOM-CCSD) = -0.469466467149 + Total Energy, E(EOM-CCSD) = -0.468046832758 + Total Energy, E(EOM-CCSD) = -0.466746674428 + Total Energy, E(EOM-CCSD) = -0.465569556038 + Total Energy, E(EOM-CCSD) = -0.464527961324 + Total Energy, E(EOM-CCSD) = -0.463639402998 + Total Energy, E(EOM-CCSD) = -0.462922075711 + Total Energy, E(EOM-CCSD) = -0.462390915386 + Total Energy, E(EOM-CCSD) = -0.462054734032 + Total Energy, E(EOM-CCSD) = -0.461914838786 + Total Energy, E(EOM-CCSD) = -0.461965017769 + Total Energy, E(EOM-CCSD) = -0.462192629995 + Total Energy, E(EOM-CCSD) = -0.462580160831 + Total Energy, E(EOM-CCSD) = -0.463107057910 + Total Energy, E(EOM-CCSD) = -0.463751705875 + Total Energy, E(EOM-CCSD) = -0.464492217907 + Total Energy, E(EOM-CCSD) = -0.465307976933 + Total Energy, E(EOM-CCSD) = -0.466180110339 + Total Energy, E(EOM-CCSD) = -0.467091875147 + Total Energy, E(EOM-CCSD) = -0.468028833635 + Total Energy, E(EOM-CCSD) = -0.468978795503 + Total Energy, E(EOM-CCSD) = -0.469931675921 + Total Energy, E(EOM-CCSD) = -0.470879295729 + Total Energy, E(EOM-CCSD) = -0.471815094855 + Total Energy, E(EOM-CCSD) = -0.472733893974 + Total Energy, E(EOM-CCSD) = -0.473483592292 + Total Energy, E(EOM-CCSD) = -0.474218131243 + Total Energy, E(EOM-CCSD) = -0.474958301269 + Total Energy, E(EOM-CCSD) = -0.475697664128 + Total Energy, E(EOM-CCSD) = -0.476430335018 + Total Energy, E(EOM-CCSD) = -0.477151317573 + Total Energy, E(EOM-CCSD) = -0.477856207821 + Total Energy, E(EOM-CCSD) = -0.478541212685 + Total Energy, E(EOM-CCSD) = -0.479203171042 + Total Energy, E(EOM-CCSD) = -0.479839457218 + Total Energy, E(EOM-CCSD) = -0.480447985401 + Total Energy, E(EOM-CCSD) = -0.481027169464 + Total Energy, E(EOM-CCSD) = -0.481575852311 + Total Energy, E(EOM-CCSD) = -0.482093361689 + Total Energy, E(EOM-CCSD) = -0.482579371202 + Total Energy, E(EOM-CCSD) = -0.483033910544 + Total Energy, E(EOM-CCSD) = -0.483457312500 + Total Energy, E(EOM-CCSD) = -0.483850198952 + Total Energy, E(EOM-CCSD) = -0.484213419865 + Total Energy, E(EOM-CCSD) = -0.484547964072 + Total Energy, E(EOM-CCSD) = -0.484855025677 + Total Energy, E(EOM-CCSD) = -0.485135904682 + Total Energy, E(EOM-CCSD) = -0.485391967044 + Total Energy, E(EOM-CCSD) = -0.485624676944 + Total Energy, E(EOM-CCSD) = -0.485835427926 + Total Energy, E(EOM-CCSD) = -0.486025821160 + Total Energy, E(EOM-CCSD) = -0.486197193996 + Total Energy, E(EOM-CCSD) = -0.486351175818 + Total Energy, E(EOM-CCSD) = -0.486488983324 + Total Energy, E(EOM-CCSD) = -0.486612035496 + Total Energy, E(EOM-CCSD) = -0.486721613928 + Total Energy, E(EOM-CCSD) = -0.486818927117 + Total Energy, E(EOM-CCSD) = -0.486905156234 + Total Energy, E(EOM-CCSD) = -0.486981380201 + Total Energy, E(EOM-CCSD) = -0.487048750050 + Total Energy, E(EOM-CCSD) = -0.487107708889 + Total Energy, E(EOM-CCSD) = -0.487159540797 + Total Energy, E(EOM-CCSD) = -0.487204957460 + Total Energy, E(EOM-CCSD) = -0.487244614688 + Total Energy, E(EOM-CCSD) = -0.487279193676 + Total Energy, E(EOM-CCSD) = -0.487309284860 + Total Energy, E(EOM-CCSD) = -0.487335384847 + Total Energy, E(EOM-CCSD) = -0.487357994488 + Total Energy, E(EOM-CCSD) = -0.487377544744 + Total Energy, E(EOM-CCSD) = -0.487394388064 diff --git a/output/ninth.txt b/output/ninth.txt new file mode 100644 index 0000000..a365513 --- /dev/null +++ b/output/ninth.txt @@ -0,0 +1,101 @@ + Total Energy, E(EOM-CCSD) = 0.378332764533 + Total Energy, E(EOM-CCSD) = 0.301683954920 + Total Energy, E(EOM-CCSD) = 0.243098478696 + Total Energy, E(EOM-CCSD) = 0.172976639982 + Total Energy, E(EOM-CCSD) = 0.112837058730 + Total Energy, E(EOM-CCSD) = 0.640909018001E-01 + Total Energy, E(EOM-CCSD) = 0.355265925729E-01 + Total Energy, E(EOM-CCSD) = 0.908718355262E-02 + Total Energy, E(EOM-CCSD) = -0.153493131213E-01 + Total Energy, E(EOM-CCSD) = -0.378365440603E-01 + Total Energy, E(EOM-CCSD) = -0.584181838388E-01 + Total Energy, E(EOM-CCSD) = -0.771515453636E-01 + Total Energy, E(EOM-CCSD) = -0.941127233984E-01 + Total Energy, E(EOM-CCSD) = -0.109393386842 + Total Energy, E(EOM-CCSD) = -0.123094709928 + Total Energy, E(EOM-CCSD) = -0.135321279193 + Total Energy, E(EOM-CCSD) = -0.146176406925 + Total Energy, E(EOM-CCSD) = -0.155759431054 + Total Energy, E(EOM-CCSD) = -0.164164962293 + Total Energy, E(EOM-CCSD) = -0.171483579334 + Total Energy, E(EOM-CCSD) = -0.177803247948 + Total Energy, E(EOM-CCSD) = -0.183210654912 + Total Energy, E(EOM-CCSD) = -0.187792120363 + Total Energy, E(EOM-CCSD) = -0.191633605395 + Total Energy, E(EOM-CCSD) = -0.194820045660 + Total Energy, E(EOM-CCSD) = -0.197434131299 + Total Energy, E(EOM-CCSD) = -0.199554842375 + Total Energy, E(EOM-CCSD) = -0.201256014044 + Total Energy, E(EOM-CCSD) = -0.202605135862 + Total Energy, E(EOM-CCSD) = -0.203662529450 + Total Energy, E(EOM-CCSD) = -0.204480931009 + Total Energy, E(EOM-CCSD) = -0.205105486431 + Total Energy, E(EOM-CCSD) = -0.205574082753 + Total Energy, E(EOM-CCSD) = -0.205342774934 + Total Energy, E(EOM-CCSD) = -0.203610325821 + Total Energy, E(EOM-CCSD) = -0.202145620916 + Total Energy, E(EOM-CCSD) = -0.200928087517 + Total Energy, E(EOM-CCSD) = -0.199934374331 + Total Energy, E(EOM-CCSD) = -0.199139732528 + Total Energy, E(EOM-CCSD) = -0.198519195566 + Total Energy, E(EOM-CCSD) = -0.198048521233 + Total Energy, E(EOM-CCSD) = -0.197704883714 + Total Energy, E(EOM-CCSD) = -0.197467359721 + Total Energy, E(EOM-CCSD) = -0.197317114870 + Total Energy, E(EOM-CCSD) = -0.197237525470 + Total Energy, E(EOM-CCSD) = -0.197214460849 + Total Energy, E(EOM-CCSD) = -0.197235551539 + Total Energy, E(EOM-CCSD) = -0.197290583941 + Total Energy, E(EOM-CCSD) = -0.197371061786 + Total Energy, E(EOM-CCSD) = -0.197470030178 + Total Energy, E(EOM-CCSD) = -0.197581879617 + Total Energy, E(EOM-CCSD) = -0.197702133396 + Total Energy, E(EOM-CCSD) = -0.197827265759 + Total Energy, E(EOM-CCSD) = -0.197954550250 + Total Energy, E(EOM-CCSD) = -0.198081905615 + Total Energy, E(EOM-CCSD) = -0.198207778095 + Total Energy, E(EOM-CCSD) = -0.198331029522 + Total Energy, E(EOM-CCSD) = -0.198450825928 + Total Energy, E(EOM-CCSD) = -0.198566653932 + Total Energy, E(EOM-CCSD) = -0.198678235049 + Total Energy, E(EOM-CCSD) = -0.198785264467 + Total Energy, E(EOM-CCSD) = -0.198887715931 + Total Energy, E(EOM-CCSD) = -0.198985606532 + Total Energy, E(EOM-CCSD) = -0.199078986880 + Total Energy, E(EOM-CCSD) = -0.199167995735 + Total Energy, E(EOM-CCSD) = -0.199252777099 + Total Energy, E(EOM-CCSD) = -0.199333498573 + Total Energy, E(EOM-CCSD) = -0.199410343264 + Total Energy, E(EOM-CCSD) = -0.199483468778 + Total Energy, E(EOM-CCSD) = -0.199553086523 + Total Energy, E(EOM-CCSD) = -0.199619369279 + Total Energy, E(EOM-CCSD) = -0.199682491702 + Total Energy, E(EOM-CCSD) = -0.199742618298 + Total Energy, E(EOM-CCSD) = -0.199799923961 + Total Energy, E(EOM-CCSD) = -0.199854577561 + Total Energy, E(EOM-CCSD) = -0.199906696880 + Total Energy, E(EOM-CCSD) = -0.199956434195 + Total Energy, E(EOM-CCSD) = -0.200003929419 + Total Energy, E(EOM-CCSD) = -0.200049272864 + Total Energy, E(EOM-CCSD) = -0.200092641441 + Total Energy, E(EOM-CCSD) = -0.200134049689 + Total Energy, E(EOM-CCSD) = -0.200173722402 + Total Energy, E(EOM-CCSD) = -0.200211621151 + Total Energy, E(EOM-CCSD) = -0.200248026252 + Total Energy, E(EOM-CCSD) = -0.200282836539 + Total Energy, E(EOM-CCSD) = -0.200316200961 + Total Energy, E(EOM-CCSD) = -0.200348188804 + Total Energy, E(EOM-CCSD) = -0.200378866873 + Total Energy, E(EOM-CCSD) = -0.200408308410 + Total Energy, E(EOM-CCSD) = -0.200436589865 + Total Energy, E(EOM-CCSD) = -0.200463921213 + Total Energy, E(EOM-CCSD) = -0.200489865729 + Total Energy, E(EOM-CCSD) = -0.200514906201 + Total Energy, E(EOM-CCSD) = -0.200539034952 + Total Energy, E(EOM-CCSD) = -0.200562222774 + Total Energy, E(EOM-CCSD) = -0.200584543621 + Total Energy, E(EOM-CCSD) = -0.200606052872 + Total Energy, E(EOM-CCSD) = -0.200626754563 + Total Energy, E(EOM-CCSD) = -0.200646692940 + Total Energy, E(EOM-CCSD) = -0.200665927656 + Total Energy, E(EOM-CCSD) = -0.200684446797 diff --git a/output/second.txt b/output/second.txt index 69d95d0..1182d4c 100644 --- a/output/second.txt +++ b/output/second.txt @@ -1,51 +1,101 @@ --0.436542294812 --0.507862267990 --0.542525062129 --0.556975239125 --0.559867550856 --0.556434729717 --0.550695843371 --0.548119421229 --0.561464331698 --0.588921292200 --0.615498846111 --0.637624014550 --0.655147844239 --0.668516353816 --0.678283197914 --0.684999348853 --0.689181062136 --0.691297488425 --0.691764019510 --0.690938314665 --0.689119443167 --0.686550377722 --0.683424524580 --0.679893978684 --0.676078078848 --0.672070283655 --0.667944779174 --0.663760459900 --0.659564370770 --0.655394600597 --0.651281029979 --0.647247673321 --0.643313316709 --0.639492427998 --0.635795646076 --0.632230641900 --0.628802385710 --0.625513525504 --0.622364721033 --0.619354893114 --0.616480506309 --0.613737375121 --0.611122826185 --0.608630659218 --0.606254285325 --0.603986973067 --0.601821806268 --0.599752150537 --0.597771601188 --0.595873895542 --0.594053381071 + Total Energy, E(EOM-CCSD) = -0.426326989764 + Total Energy, E(EOM-CCSD) = -0.471072110376 + Total Energy, E(EOM-CCSD) = -0.502756275452 + Total Energy, E(EOM-CCSD) = -0.524954973229 + Total Energy, E(EOM-CCSD) = -0.540158573241 + Total Energy, E(EOM-CCSD) = -0.550133292788 + Total Energy, E(EOM-CCSD) = -0.556156753833 + Total Energy, E(EOM-CCSD) = -0.559178944918 + Total Energy, E(EOM-CCSD) = -0.559934277009 + Total Energy, E(EOM-CCSD) = -0.559019171802 + Total Energy, E(EOM-CCSD) = -0.556946357496 + Total Energy, E(EOM-CCSD) = -0.554190790757 + Total Energy, E(EOM-CCSD) = -0.551252789798 + Total Energy, E(EOM-CCSD) = -0.548791045484 + Total Energy, E(EOM-CCSD) = -0.547934527953 + Total Energy, E(EOM-CCSD) = -0.550737831018 + Total Energy, E(EOM-CCSD) = -0.559160135840 + Total Energy, E(EOM-CCSD) = -0.571912273847 + Total Energy, E(EOM-CCSD) = -0.586085931239 + Total Energy, E(EOM-CCSD) = -0.600009024019 + Total Energy, E(EOM-CCSD) = -0.613027333909 + Total Energy, E(EOM-CCSD) = -0.624916779220 + Total Energy, E(EOM-CCSD) = -0.635623707357 + Total Energy, E(EOM-CCSD) = -0.645165604121 + Total Energy, E(EOM-CCSD) = -0.653591271569 + Total Energy, E(EOM-CCSD) = -0.660963482831 + Total Energy, E(EOM-CCSD) = -0.667350878103 + Total Energy, E(EOM-CCSD) = -0.672823894055 + Total Energy, E(EOM-CCSD) = -0.677452675215 + Total Energy, E(EOM-CCSD) = -0.681305875315 + Total Energy, E(EOM-CCSD) = -0.684449949098 + Total Energy, E(EOM-CCSD) = -0.686948728801 + Total Energy, E(EOM-CCSD) = -0.688863124756 + Total Energy, E(EOM-CCSD) = -0.690250888908 + Total Energy, E(EOM-CCSD) = -0.691166430734 + Total Energy, E(EOM-CCSD) = -0.691660665738 + Total Energy, E(EOM-CCSD) = -0.691780893118 + Total Energy, E(EOM-CCSD) = -0.691570725977 + Total Energy, E(EOM-CCSD) = -0.691070067324 + Total Energy, E(EOM-CCSD) = -0.690315157269 + Total Energy, E(EOM-CCSD) = -0.689338683910 + Total Energy, E(EOM-CCSD) = -0.688169960129 + Total Energy, E(EOM-CCSD) = -0.686835174140 + Total Energy, E(EOM-CCSD) = -0.685357496683 + Total Energy, E(EOM-CCSD) = -0.683757398571 + Total Energy, E(EOM-CCSD) = -0.682053501216 + Total Energy, E(EOM-CCSD) = -0.680261616355 + Total Energy, E(EOM-CCSD) = -0.678396104456 + Total Energy, E(EOM-CCSD) = -0.676469629008 + Total Energy, E(EOM-CCSD) = -0.674493413649 + Total Energy, E(EOM-CCSD) = -0.672477447297 + Total Energy, E(EOM-CCSD) = -0.670430619778 + Total Energy, E(EOM-CCSD) = -0.668360851363 + Total Energy, E(EOM-CCSD) = -0.666275233447 + Total Energy, E(EOM-CCSD) = -0.664180105874 + Total Energy, E(EOM-CCSD) = -0.662081148622 + Total Energy, E(EOM-CCSD) = -0.659983436813 + Total Energy, E(EOM-CCSD) = -0.657891475653 + Total Energy, E(EOM-CCSD) = -0.655809394075 + Total Energy, E(EOM-CCSD) = -0.653740929648 + Total Energy, E(EOM-CCSD) = -0.651689113698 + Total Energy, E(EOM-CCSD) = -0.649656908901 + Total Energy, E(EOM-CCSD) = -0.647646873493 + Total Energy, E(EOM-CCSD) = -0.645661187241 + Total Energy, E(EOM-CCSD) = -0.643701898949 + Total Energy, E(EOM-CCSD) = -0.641770703865 + Total Energy, E(EOM-CCSD) = -0.639869091459 + Total Energy, E(EOM-CCSD) = -0.637998348036 + Total Energy, E(EOM-CCSD) = -0.636159496955 + Total Energy, E(EOM-CCSD) = -0.634353494766 + Total Energy, E(EOM-CCSD) = -0.632581047023 + Total Energy, E(EOM-CCSD) = -0.630842723627 + Total Energy, E(EOM-CCSD) = -0.629138937810 + Total Energy, E(EOM-CCSD) = -0.627470005835 + Total Energy, E(EOM-CCSD) = -0.625836106472 + Total Energy, E(EOM-CCSD) = -0.624237233328 + Total Energy, E(EOM-CCSD) = -0.622673338669 + Total Energy, E(EOM-CCSD) = -0.621144261161 + Total Energy, E(EOM-CCSD) = -0.619649697425 + Total Energy, E(EOM-CCSD) = -0.618189339923 + Total Energy, E(EOM-CCSD) = -0.616762063879 + Total Energy, E(EOM-CCSD) = -0.615367428346 + Total Energy, E(EOM-CCSD) = -0.614005710441 + Total Energy, E(EOM-CCSD) = -0.612676460230 + Total Energy, E(EOM-CCSD) = -0.611378666506 + Total Energy, E(EOM-CCSD) = -0.610111640340 + Total Energy, E(EOM-CCSD) = -0.608874561864 + Total Energy, E(EOM-CCSD) = -0.607666598652 + Total Energy, E(EOM-CCSD) = -0.606486913644 + Total Energy, E(EOM-CCSD) = -0.605334675448 + Total Energy, E(EOM-CCSD) = -0.604209215491 + Total Energy, E(EOM-CCSD) = -0.603109068873 + Total Energy, E(EOM-CCSD) = -0.602033929480 + Total Energy, E(EOM-CCSD) = -0.600982887714 + Total Energy, E(EOM-CCSD) = -0.599955030574 + Total Energy, E(EOM-CCSD) = -0.598949593634 + Total Energy, E(EOM-CCSD) = -0.597965814249 + Total Energy, E(EOM-CCSD) = -0.597002884240 + Total Energy, E(EOM-CCSD) = -0.596060089594 + Total Energy, E(EOM-CCSD) = -0.595136741437 + Total Energy, E(EOM-CCSD) = -0.594232105298 diff --git a/output/seventh.txt b/output/seventh.txt new file mode 100644 index 0000000..9174dea --- /dev/null +++ b/output/seventh.txt @@ -0,0 +1,101 @@ + Total Energy, E(EOM-CCSD) = 0.269055137758 + Total Energy, E(EOM-CCSD) = 0.213062657949 + Total Energy, E(EOM-CCSD) = 0.167726949617 + Total Energy, E(EOM-CCSD) = 0.129186648507 + Total Energy, E(EOM-CCSD) = 0.950848649363E-01 + Total Energy, E(EOM-CCSD) = 0.608066488343E-01 + Total Energy, E(EOM-CCSD) = 0.155141504597E-01 + Total Energy, E(EOM-CCSD) = -0.239622760479E-01 + Total Energy, E(EOM-CCSD) = -0.582426044476E-01 + Total Energy, E(EOM-CCSD) = -0.878373262632E-01 + Total Energy, E(EOM-CCSD) = -0.113248547495 + Total Energy, E(EOM-CCSD) = -0.134975546334 + Total Energy, E(EOM-CCSD) = -0.153489630425 + Total Energy, E(EOM-CCSD) = -0.169213796385 + Total Energy, E(EOM-CCSD) = -0.182513425722 + Total Energy, E(EOM-CCSD) = -0.193695546334 + Total Energy, E(EOM-CCSD) = -0.203013922365 + Total Energy, E(EOM-CCSD) = -0.210678136832 + Total Energy, E(EOM-CCSD) = -0.216865000419 + Total Energy, E(EOM-CCSD) = -0.221730134999 + Total Energy, E(EOM-CCSD) = -0.225417117616 + Total Energy, E(EOM-CCSD) = -0.228061922087 + Total Energy, E(EOM-CCSD) = -0.229792036620 + Total Energy, E(EOM-CCSD) = -0.230721556718 + Total Energy, E(EOM-CCSD) = -0.230945109234 + Total Energy, E(EOM-CCSD) = -0.229311970358 + Total Energy, E(EOM-CCSD) = -0.225461325787 + Total Energy, E(EOM-CCSD) = -0.221798599404 + Total Energy, E(EOM-CCSD) = -0.218361455732 + Total Energy, E(EOM-CCSD) = -0.215180722863 + Total Energy, E(EOM-CCSD) = -0.212279052140 + Total Energy, E(EOM-CCSD) = -0.209670245797 + Total Energy, E(EOM-CCSD) = -0.207359253933 + Total Energy, E(EOM-CCSD) = -0.205917936934 + Total Energy, E(EOM-CCSD) = -0.203844479665 + Total Energy, E(EOM-CCSD) = -0.205567162995 + Total Energy, E(EOM-CCSD) = -0.206429506517 + Total Energy, E(EOM-CCSD) = -0.206480777132 + Total Energy, E(EOM-CCSD) = -0.206491178022 + Total Energy, E(EOM-CCSD) = -0.206468420513 + Total Energy, E(EOM-CCSD) = -0.206418618347 + Total Energy, E(EOM-CCSD) = -0.206346691491 + Total Energy, E(EOM-CCSD) = -0.206256702273 + Total Energy, E(EOM-CCSD) = -0.206152003999 + Total Energy, E(EOM-CCSD) = -0.206035428449 + Total Energy, E(EOM-CCSD) = -0.205909711918 + Total Energy, E(EOM-CCSD) = -0.205776921507 + Total Energy, E(EOM-CCSD) = -0.205639083372 + Total Energy, E(EOM-CCSD) = -0.205497959821 + Total Energy, E(EOM-CCSD) = -0.205355101618 + Total Energy, E(EOM-CCSD) = -0.205211872746 + Total Energy, E(EOM-CCSD) = -0.205069444958 + Total Energy, E(EOM-CCSD) = -0.204928807725 + Total Energy, E(EOM-CCSD) = -0.204790789876 + Total Energy, E(EOM-CCSD) = -0.204656061014 + Total Energy, E(EOM-CCSD) = -0.204525148931 + Total Energy, E(EOM-CCSD) = -0.204398447998 + Total Energy, E(EOM-CCSD) = -0.204276208605 + Total Energy, E(EOM-CCSD) = -0.204158642074 + Total Energy, E(EOM-CCSD) = -0.204045907093 + Total Energy, E(EOM-CCSD) = -0.203937911747 + Total Energy, E(EOM-CCSD) = -0.203834668385 + Total Energy, E(EOM-CCSD) = -0.203736100906 + Total Energy, E(EOM-CCSD) = -0.203642068691 + Total Energy, E(EOM-CCSD) = -0.203552448996 + Total Energy, E(EOM-CCSD) = -0.203467075805 + Total Energy, E(EOM-CCSD) = -0.203385775328 + Total Energy, E(EOM-CCSD) = -0.203308371652 + Total Energy, E(EOM-CCSD) = -0.203234654663 + Total Energy, E(EOM-CCSD) = -0.203164469463 + Total Energy, E(EOM-CCSD) = -0.203097627331 + Total Energy, E(EOM-CCSD) = -0.203033951140 + Total Energy, E(EOM-CCSD) = -0.202973266278 + Total Energy, E(EOM-CCSD) = -0.202915422722 + Total Energy, E(EOM-CCSD) = -0.202860280162 + Total Energy, E(EOM-CCSD) = -0.202807662095 + Total Energy, E(EOM-CCSD) = -0.202757443031 + Total Energy, E(EOM-CCSD) = -0.202709501063 + Total Energy, E(EOM-CCSD) = -0.202663679165 + Total Energy, E(EOM-CCSD) = -0.202619922158 + Total Energy, E(EOM-CCSD) = -0.202578026074 + Total Energy, E(EOM-CCSD) = -0.202538010594 + Total Energy, E(EOM-CCSD) = -0.202499644959 + Total Energy, E(EOM-CCSD) = -0.202463028299 + Total Energy, E(EOM-CCSD) = -0.202427889887 + Total Energy, E(EOM-CCSD) = -0.202394219309 + Total Energy, E(EOM-CCSD) = -0.202361935810 + Total Energy, E(EOM-CCSD) = -0.202330965480 + Total Energy, E(EOM-CCSD) = -0.202301249699 + Total Energy, E(EOM-CCSD) = -0.202272739880 + Total Energy, E(EOM-CCSD) = -0.202245529409 + Total Energy, E(EOM-CCSD) = -0.202219071164 + Total Energy, E(EOM-CCSD) = -0.202193743972 + Total Energy, E(EOM-CCSD) = -0.202169442578 + Total Energy, E(EOM-CCSD) = -0.202146045267 + Total Energy, E(EOM-CCSD) = -0.202123539175 + Total Energy, E(EOM-CCSD) = -0.202101897289 + Total Energy, E(EOM-CCSD) = -0.202081046243 + Total Energy, E(EOM-CCSD) = -0.202060956853 + Total Energy, E(EOM-CCSD) = -0.202041619501 + Total Energy, E(EOM-CCSD) = -0.202022956673 diff --git a/output/sixth.txt b/output/sixth.txt new file mode 100644 index 0000000..c27d7ac --- /dev/null +++ b/output/sixth.txt @@ -0,0 +1,101 @@ + Total Energy, E(EOM-CCSD) = 0.247294318522 + Total Energy, E(EOM-CCSD) = 0.158265296438 + Total Energy, E(EOM-CCSD) = 0.755642319770E-01 + Total Energy, E(EOM-CCSD) = -0.211842933897E-03 + Total Energy, E(EOM-CCSD) = -0.690546984280E-01 + Total Energy, E(EOM-CCSD) = -0.131447056856 + Total Energy, E(EOM-CCSD) = -0.187999210072 + Total Energy, E(EOM-CCSD) = -0.239288626969 + Total Energy, E(EOM-CCSD) = -0.271781133389 + Total Energy, E(EOM-CCSD) = -0.274878930161 + Total Energy, E(EOM-CCSD) = -0.276314650023 + Total Energy, E(EOM-CCSD) = -0.276426190039 + Total Energy, E(EOM-CCSD) = -0.275488085807 + Total Energy, E(EOM-CCSD) = -0.273725213395 + Total Energy, E(EOM-CCSD) = -0.271321372011 + Total Energy, E(EOM-CCSD) = -0.268424815010 + Total Energy, E(EOM-CCSD) = -0.265152626185 + Total Energy, E(EOM-CCSD) = -0.261595327492 + Total Energy, E(EOM-CCSD) = -0.257822316669 + Total Energy, E(EOM-CCSD) = -0.253887938562 + Total Energy, E(EOM-CCSD) = -0.249837492035 + Total Energy, E(EOM-CCSD) = -0.245712313317 + Total Energy, E(EOM-CCSD) = -0.241553478394 + Total Energy, E(EOM-CCSD) = -0.237403736961 + Total Energy, E(EOM-CCSD) = -0.233307905804 + Total Energy, E(EOM-CCSD) = -0.229311970358 + Total Energy, E(EOM-CCSD) = -0.225461325787 + Total Energy, E(EOM-CCSD) = -0.221798599418 + Total Energy, E(EOM-CCSD) = -0.218361455754 + Total Energy, E(EOM-CCSD) = -0.215180722863 + Total Energy, E(EOM-CCSD) = -0.212279052165 + Total Energy, E(EOM-CCSD) = -0.209670245808 + Total Energy, E(EOM-CCSD) = -0.207359253940 + Total Energy, E(EOM-CCSD) = -0.205917936977 + Total Energy, E(EOM-CCSD) = -0.206162350627 + Total Energy, E(EOM-CCSD) = -0.206327545807 + Total Energy, E(EOM-CCSD) = -0.206429506526 + Total Energy, E(EOM-CCSD) = -0.206480777149 + Total Energy, E(EOM-CCSD) = -0.206491178030 + Total Energy, E(EOM-CCSD) = -0.206468420526 + Total Energy, E(EOM-CCSD) = -0.208430915334 + Total Energy, E(EOM-CCSD) = -0.213569717527 + Total Energy, E(EOM-CCSD) = -0.218111807269 + Total Energy, E(EOM-CCSD) = -0.222077729760 + Total Energy, E(EOM-CCSD) = -0.225490022386 + Total Energy, E(EOM-CCSD) = -0.227047410650 + Total Energy, E(EOM-CCSD) = -0.227916620599 + Total Energy, E(EOM-CCSD) = -0.228522566961 + Total Energy, E(EOM-CCSD) = -0.228864274871 + Total Energy, E(EOM-CCSD) = -0.228943575455 + Total Energy, E(EOM-CCSD) = -0.228765793596 + Total Energy, E(EOM-CCSD) = -0.228340193685 + Total Energy, E(EOM-CCSD) = -0.227680146641 + Total Energy, E(EOM-CCSD) = -0.226803196578 + Total Energy, E(EOM-CCSD) = -0.225730638927 + Total Energy, E(EOM-CCSD) = -0.224487077357 + Total Energy, E(EOM-CCSD) = -0.223099817964 + Total Energy, E(EOM-CCSD) = -0.221597954147 + Total Energy, E(EOM-CCSD) = -0.220011656732 + Total Energy, E(EOM-CCSD) = -0.218371309358 + Total Energy, E(EOM-CCSD) = -0.216706420798 + Total Energy, E(EOM-CCSD) = -0.215045184057 + Total Energy, E(EOM-CCSD) = -0.213413590988 + Total Energy, E(EOM-CCSD) = -0.211834834543 + Total Energy, E(EOM-CCSD) = -0.210328922518 + Total Energy, E(EOM-CCSD) = -0.208912225802 + Total Energy, E(EOM-CCSD) = -0.207597329625 + Total Energy, E(EOM-CCSD) = -0.206392974515 + Total Energy, E(EOM-CCSD) = -0.205304130318 + Total Energy, E(EOM-CCSD) = -0.204332306843 + Total Energy, E(EOM-CCSD) = -0.203475906207 + Total Energy, E(EOM-CCSD) = -0.203033951233 + Total Energy, E(EOM-CCSD) = -0.202973266291 + Total Energy, E(EOM-CCSD) = -0.202915422809 + Total Energy, E(EOM-CCSD) = -0.202860280162 + Total Energy, E(EOM-CCSD) = -0.202807662119 + Total Energy, E(EOM-CCSD) = -0.202757443055 + Total Energy, E(EOM-CCSD) = -0.202709501086 + Total Energy, E(EOM-CCSD) = -0.202663679199 + Total Energy, E(EOM-CCSD) = -0.202619922201 + Total Energy, E(EOM-CCSD) = -0.202578026074 + Total Energy, E(EOM-CCSD) = -0.202538010594 + Total Energy, E(EOM-CCSD) = -0.202499644959 + Total Energy, E(EOM-CCSD) = -0.202463028397 + Total Energy, E(EOM-CCSD) = -0.202427889920 + Total Energy, E(EOM-CCSD) = -0.202394219318 + Total Energy, E(EOM-CCSD) = -0.202361935936 + Total Energy, E(EOM-CCSD) = -0.202330965480 + Total Energy, E(EOM-CCSD) = -0.202301249699 + Total Energy, E(EOM-CCSD) = -0.202272739880 + Total Energy, E(EOM-CCSD) = -0.202245529429 + Total Energy, E(EOM-CCSD) = -0.202219071164 + Total Energy, E(EOM-CCSD) = -0.202193744068 + Total Energy, E(EOM-CCSD) = -0.202169442692 + Total Energy, E(EOM-CCSD) = -0.202146045267 + Total Energy, E(EOM-CCSD) = -0.202123539175 + Total Energy, E(EOM-CCSD) = -0.202101897329 + Total Energy, E(EOM-CCSD) = -0.202081046261 + Total Energy, E(EOM-CCSD) = -0.202060956859 + Total Energy, E(EOM-CCSD) = -0.202041619501 + Total Energy, E(EOM-CCSD) = -0.202022956735 diff --git a/output/tenth.txt b/output/tenth.txt new file mode 100644 index 0000000..7b93c01 --- /dev/null +++ b/output/tenth.txt @@ -0,0 +1,101 @@ + Total Energy, E(EOM-CCSD) = 0.424238117320 + Total Energy, E(EOM-CCSD) = 0.325697904891 + Total Energy, E(EOM-CCSD) = 0.245571297365 + Total Energy, E(EOM-CCSD) = 0.202298317842 + Total Energy, E(EOM-CCSD) = 0.166878269689 + Total Energy, E(EOM-CCSD) = 0.136263973207 + Total Energy, E(EOM-CCSD) = 0.108581022997 + Total Energy, E(EOM-CCSD) = 0.826939967323E-01 + Total Energy, E(EOM-CCSD) = 0.579474151417E-01 + Total Energy, E(EOM-CCSD) = 0.339993486222E-01 + Total Energy, E(EOM-CCSD) = 0.107254309480E-01 + Total Energy, E(EOM-CCSD) = -0.118379506749E-01 + Total Energy, E(EOM-CCSD) = -0.335468038097E-01 + Total Energy, E(EOM-CCSD) = -0.542097131393E-01 + Total Energy, E(EOM-CCSD) = -0.736423014523E-01 + Total Energy, E(EOM-CCSD) = -0.917012089778E-01 + Total Energy, E(EOM-CCSD) = -0.108296419113 + Total Energy, E(EOM-CCSD) = -0.123389109777 + Total Energy, E(EOM-CCSD) = -0.136982998706 + Total Energy, E(EOM-CCSD) = -0.149114377754 + Total Energy, E(EOM-CCSD) = -0.159842803801 + Total Energy, E(EOM-CCSD) = -0.169242709998 + Total Energy, E(EOM-CCSD) = -0.177395967449 + Total Energy, E(EOM-CCSD) = -0.184385051892 + Total Energy, E(EOM-CCSD) = -0.190287361501 + Total Energy, E(EOM-CCSD) = -0.195170842766 + Total Energy, E(EOM-CCSD) = -0.199091423212 + Total Energy, E(EOM-CCSD) = -0.201256014021 + Total Energy, E(EOM-CCSD) = -0.202605135823 + Total Energy, E(EOM-CCSD) = -0.203662529429 + Total Energy, E(EOM-CCSD) = -0.204480930983 + Total Energy, E(EOM-CCSD) = -0.205105486406 + Total Energy, E(EOM-CCSD) = -0.204691895873 + Total Energy, E(EOM-CCSD) = -0.203766056197 + Total Energy, E(EOM-CCSD) = -0.200408149458 + Total Energy, E(EOM-CCSD) = -0.194325828612 + Total Energy, E(EOM-CCSD) = -0.188775043516 + Total Energy, E(EOM-CCSD) = -0.190035877184 + Total Energy, E(EOM-CCSD) = -0.196389334533 + Total Energy, E(EOM-CCSD) = -0.198519195541 + Total Energy, E(EOM-CCSD) = -0.198048521223 + Total Energy, E(EOM-CCSD) = -0.197704883708 + Total Energy, E(EOM-CCSD) = -0.197467359712 + Total Energy, E(EOM-CCSD) = -0.197317114848 + Total Energy, E(EOM-CCSD) = -0.197237525449 + Total Energy, E(EOM-CCSD) = -0.197214460849 + Total Energy, E(EOM-CCSD) = -0.197235551522 + Total Energy, E(EOM-CCSD) = -0.197290583917 + Total Energy, E(EOM-CCSD) = -0.197371061775 + Total Energy, E(EOM-CCSD) = -0.197470030171 + Total Energy, E(EOM-CCSD) = -0.197581879617 + Total Energy, E(EOM-CCSD) = -0.197702133396 + Total Energy, E(EOM-CCSD) = -0.197827265745 + Total Energy, E(EOM-CCSD) = -0.197954550232 + Total Energy, E(EOM-CCSD) = -0.198081905585 + Total Energy, E(EOM-CCSD) = -0.198207778088 + Total Energy, E(EOM-CCSD) = -0.198331029482 + Total Energy, E(EOM-CCSD) = -0.198450825853 + Total Energy, E(EOM-CCSD) = -0.198566653890 + Total Energy, E(EOM-CCSD) = -0.198678234999 + Total Energy, E(EOM-CCSD) = -0.198785264442 + Total Energy, E(EOM-CCSD) = -0.198887715904 + Total Energy, E(EOM-CCSD) = -0.198985606517 + Total Energy, E(EOM-CCSD) = -0.199078986837 + Total Energy, E(EOM-CCSD) = -0.199167995735 + Total Energy, E(EOM-CCSD) = -0.199252777039 + Total Energy, E(EOM-CCSD) = -0.199333498487 + Total Energy, E(EOM-CCSD) = -0.199410343230 + Total Energy, E(EOM-CCSD) = -0.199483468778 + Total Energy, E(EOM-CCSD) = -0.199553086523 + Total Energy, E(EOM-CCSD) = -0.199619369214 + Total Energy, E(EOM-CCSD) = -0.199682491682 + Total Energy, E(EOM-CCSD) = -0.199742618248 + Total Energy, E(EOM-CCSD) = -0.199799923961 + Total Energy, E(EOM-CCSD) = -0.199854577521 + Total Energy, E(EOM-CCSD) = -0.199906696845 + Total Energy, E(EOM-CCSD) = -0.199956434184 + Total Energy, E(EOM-CCSD) = -0.200003929365 + Total Energy, E(EOM-CCSD) = -0.199973875850 + Total Energy, E(EOM-CCSD) = -0.199826154268 + Total Energy, E(EOM-CCSD) = -0.199715950402 + Total Energy, E(EOM-CCSD) = -0.199637125780 + Total Energy, E(EOM-CCSD) = -0.199584069264 + Total Energy, E(EOM-CCSD) = -0.199552235240 + Total Energy, E(EOM-CCSD) = -0.199537394605 + Total Energy, E(EOM-CCSD) = -0.199536193653 + Total Energy, E(EOM-CCSD) = -0.199545766275 + Total Energy, E(EOM-CCSD) = -0.199563725330 + Total Energy, E(EOM-CCSD) = -0.199588119825 + Total Energy, E(EOM-CCSD) = -0.199617358775 + Total Energy, E(EOM-CCSD) = -0.199650293948 + Total Energy, E(EOM-CCSD) = -0.199685389509 + Total Energy, E(EOM-CCSD) = -0.199722237055 + Total Energy, E(EOM-CCSD) = -0.199760120026 + Total Energy, E(EOM-CCSD) = -0.199798442177 + Total Energy, E(EOM-CCSD) = -0.199836808027 + Total Energy, E(EOM-CCSD) = -0.199874979089 + Total Energy, E(EOM-CCSD) = -0.199912684444 + Total Energy, E(EOM-CCSD) = -0.199949683597 + Total Energy, E(EOM-CCSD) = -0.199985944896 + Total Energy, E(EOM-CCSD) = -0.200021322637 diff --git a/output/third.txt b/output/third.txt index 522c8c3..7fcbdad 100644 --- a/output/third.txt +++ b/output/third.txt @@ -1,51 +1,101 @@ --0.106286518065 --0.189679970781 --0.242127923324 --0.299132211490 --0.344549336575 --0.379638985906 --0.436994745468 --0.484337322091 --0.505561432572 --0.504532239423 --0.497849423041 --0.490523349307 --0.483937237106 --0.479283504011 --0.480469003331 --0.480437869409 --0.479379322722 --0.477539026462 --0.475256831133 --0.472930651730 --0.470924651880 --0.469483306185 --0.468702672414 --0.468557644070 --0.468952857832 --0.469767501405 --0.470883897288 --0.472199488178 --0.473808277475 --0.475517633060 --0.477111027281 --0.478577765511 --0.479911615463 --0.481109806841 --0.482172405870 --0.483102584822 --0.483906280331 --0.484591687886 --0.485168726694 --0.485648506506 --0.486042612973 --0.486362593876 --0.486619509387 --0.486823597836 --0.486984070967 --0.487109081259 --0.487205492999 --0.487279221635 --0.487335158551 --0.487377181734 --0.487408505387 + Total Energy, E(EOM-CCSD) = -0.948517523420E-01 + Total Energy, E(EOM-CCSD) = -0.145685020451 + Total Energy, E(EOM-CCSD) = -0.183386203401 + Total Energy, E(EOM-CCSD) = -0.211451886977 + Total Energy, E(EOM-CCSD) = -0.235745733542 + Total Energy, E(EOM-CCSD) = -0.266362891733 + Total Energy, E(EOM-CCSD) = -0.293961040497 + Total Energy, E(EOM-CCSD) = -0.318659548476 + Total Energy, E(EOM-CCSD) = -0.340507808266 + Total Energy, E(EOM-CCSD) = -0.359694782133 + Total Energy, E(EOM-CCSD) = -0.376526383732 + Total Energy, E(EOM-CCSD) = -0.400570293314 + Total Energy, E(EOM-CCSD) = -0.431297083839 + Total Energy, E(EOM-CCSD) = -0.458193052469 + Total Energy, E(EOM-CCSD) = -0.480544659199 + Total Energy, E(EOM-CCSD) = -0.496640112896 + Total Energy, E(EOM-CCSD) = -0.504804178561 + Total Energy, E(EOM-CCSD) = -0.506565800277 + Total Energy, E(EOM-CCSD) = -0.505043570548 + Total Energy, E(EOM-CCSD) = -0.502103052418 + Total Energy, E(EOM-CCSD) = -0.498583386198 + Total Energy, E(EOM-CCSD) = -0.494886943655 + Total Energy, E(EOM-CCSD) = -0.491235436679 + Total Energy, E(EOM-CCSD) = -0.487762227366 + Total Energy, E(EOM-CCSD) = -0.484545780627 + Total Energy, E(EOM-CCSD) = -0.481623831259 + Total Energy, E(EOM-CCSD) = -0.479090537621 + Total Energy, E(EOM-CCSD) = -0.479915774575 + Total Energy, E(EOM-CCSD) = -0.480408243923 + Total Energy, E(EOM-CCSD) = -0.480592369874 + Total Energy, E(EOM-CCSD) = -0.480490551471 + Total Energy, E(EOM-CCSD) = -0.480125940921 + Total Energy, E(EOM-CCSD) = -0.479525105066 + Total Energy, E(EOM-CCSD) = -0.478720037980 + Total Energy, E(EOM-CCSD) = -0.477749206481 + Total Energy, E(EOM-CCSD) = -0.476657308096 + Total Energy, E(EOM-CCSD) = -0.475493636890 + Total Energy, E(EOM-CCSD) = -0.474309362299 + Total Energy, E(EOM-CCSD) = -0.473154167359 + Total Energy, E(EOM-CCSD) = -0.472072851602 + Total Energy, E(EOM-CCSD) = -0.471102707258 + Total Energy, E(EOM-CCSD) = -0.470271738659 + Total Energy, E(EOM-CCSD) = -0.469598194772 + Total Energy, E(EOM-CCSD) = -0.469090983817 + Total Energy, E(EOM-CCSD) = -0.468750927927 + Total Energy, E(EOM-CCSD) = -0.468572694507 + Total Energy, E(EOM-CCSD) = -0.468545939837 + Total Energy, E(EOM-CCSD) = -0.468657469891 + Total Energy, E(EOM-CCSD) = -0.468892388426 + Total Energy, E(EOM-CCSD) = -0.469235205410 + Total Energy, E(EOM-CCSD) = -0.469670614045 + Total Energy, E(EOM-CCSD) = -0.470183998761 + Total Energy, E(EOM-CCSD) = -0.470761746158 + Total Energy, E(EOM-CCSD) = -0.471391360262 + Total Energy, E(EOM-CCSD) = -0.472061506203 + Total Energy, E(EOM-CCSD) = -0.472761973767 + Total Energy, E(EOM-CCSD) = -0.473631607073 + Total Energy, E(EOM-CCSD) = -0.474505013823 + Total Energy, E(EOM-CCSD) = -0.475351640786 + Total Energy, E(EOM-CCSD) = -0.476169599494 + Total Energy, E(EOM-CCSD) = -0.476957216037 + Total Energy, E(EOM-CCSD) = -0.477713331937 + Total Energy, E(EOM-CCSD) = -0.478437006857 + Total Energy, E(EOM-CCSD) = -0.479127509955 + Total Energy, E(EOM-CCSD) = -0.479784364125 + Total Energy, E(EOM-CCSD) = -0.480407264256 + Total Energy, E(EOM-CCSD) = -0.480996109621 + Total Energy, E(EOM-CCSD) = -0.481550990053 + Total Energy, E(EOM-CCSD) = -0.482072151446 + Total Energy, E(EOM-CCSD) = -0.482560074650 + Total Energy, E(EOM-CCSD) = -0.483015372467 + Total Energy, E(EOM-CCSD) = -0.483438833222 + Total Energy, E(EOM-CCSD) = -0.483831386897 + Total Energy, E(EOM-CCSD) = -0.484194111778 + Total Energy, E(EOM-CCSD) = -0.484528201236 + Total Energy, E(EOM-CCSD) = -0.484834910246 + Total Energy, E(EOM-CCSD) = -0.485115598488 + Total Energy, E(EOM-CCSD) = -0.485371682574 + Total Energy, E(EOM-CCSD) = -0.485604576008 + Total Energy, E(EOM-CCSD) = -0.485815789442 + Total Energy, E(EOM-CCSD) = -0.486006694135 + Total Energy, E(EOM-CCSD) = -0.486178850685 + Total Energy, E(EOM-CCSD) = -0.486333544316 + Total Energy, E(EOM-CCSD) = -0.486472329450 + Total Energy, E(EOM-CCSD) = -0.486596352132 + Total Energy, E(EOM-CCSD) = -0.486706941213 + Total Energy, E(EOM-CCSD) = -0.486805297495 + Total Energy, E(EOM-CCSD) = -0.486892545215 + Total Energy, E(EOM-CCSD) = -0.486969756513 + Total Energy, E(EOM-CCSD) = -0.487037935468 + Total Energy, E(EOM-CCSD) = -0.487098146864 + Total Energy, E(EOM-CCSD) = -0.487150760917 + Total Energy, E(EOM-CCSD) = -0.487196972459 + Total Energy, E(EOM-CCSD) = -0.487237442257 + Total Energy, E(EOM-CCSD) = -0.487272743752 + Total Energy, E(EOM-CCSD) = -0.487303496446 + Total Energy, E(EOM-CCSD) = -0.487330241878 + Total Energy, E(EOM-CCSD) = -0.487353428288 + Total Energy, E(EOM-CCSD) = -0.487373491346 + Total Energy, E(EOM-CCSD) = -0.487390838875 + Total Energy, E(EOM-CCSD) = -0.487405769968